pranlukast
SMILES | O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1 |
InChIKey | NBQKINXMPLXUET-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 481.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Structure pdb | 6RZ4 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CysLT1 | CLTR1 | Human | Leukotriene | A | pKi | 7.1 | 7.95 | 8.8 | Guide to Pharmacology |
GPR17 | GPR17 | Human | A orphans | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
GPR17 | GPR17 | Human | A orphans | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 8.14 | 9.13 | 8.37 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 5.44 | 5.44 | 5.44 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pA2 | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 4.37 | 4.91 | 5.44 | ChEMBL |
CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pIC50 | 9.0 | 9.68 | 10.36 | ChEMBL |
CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 7.64 | 8.37 | 9.1 | ChEMBL |
CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 8.0 | 8.0 | 8.0 | Drug Central |
CysLT2 | CLTR2 | Human | Leukotriene | A | pIC50 | 8.26 | 8.26 | 8.26 | Drug Central |